HMDB0052857 RDKit 3D TG(18:3(6Z,9Z,12Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 155154 0 0 0 0 0 0 0 0999 V2000 -0.5748 -5.8185 -11.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -4.4638 -10.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1641 -4.2225 -10.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8546 -4.0437 -9.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2031 -4.0745 -8.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 -5.1342 -7.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4705 -4.9564 -6.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5572 -3.6124 -5.7011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9124 -3.5553 -4.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5807 -3.2346 -3.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 -2.8988 -3.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6421 -3.8106 -2.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3445 -3.3645 -1.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5918 -1.8902 -1.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -1.6842 -1.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7931 -1.1353 -0.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4942 -0.5651 0.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2146 -0.4119 1.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7332 0.8260 1.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4379 2.0756 1.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6473 2.9166 2.7631 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3809 3.4113 3.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4563 4.1183 4.4055 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1460 3.1860 2.8544 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8898 3.6793 3.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 3.0374 2.3806 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5118 3.1604 1.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0992 2.2283 0.1192 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9674 1.9397 -0.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0384 2.6216 -0.3908 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 0.7361 -1.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 -0.3619 -0.7328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -0.6268 0.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 -1.6732 1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9033 -2.9722 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3513 -4.0634 1.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5077 -4.1469 2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1467 -5.1618 3.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5047 -6.2371 3.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8654 -6.6175 3.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6874 -6.7479 4.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7529 -6.0846 4.8187 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3193 -5.0426 3.9573 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7341 -5.3622 3.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6732 -5.5221 4.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8131 -4.3274 5.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3250 -3.1266 4.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5846 3.3668 2.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4849 2.6189 2.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2252 1.4140 3.2165 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9015 3.1205 2.9257 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4005 3.3314 1.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8283 3.7803 1.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7954 2.7739 2.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2217 3.1718 1.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5938 4.5122 2.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3794 4.5139 3.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7336 5.6705 4.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1199 6.9933 4.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2086 7.7383 3.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6148 9.1484 3.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1627 9.1019 3.7974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3134 8.3160 2.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0607 -5.7143 -12.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2011 -6.4350 -10.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3791 -6.3404 -11.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8603 -4.2785 -9.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6854 -3.7195 -11.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7117 -4.1792 -11.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9121 -3.8648 -9.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3246 -3.0855 -7.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -4.3827 -8.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8081 -6.1493 -7.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9062 -5.8365 -5.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 -2.9074 -6.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5562 -3.1952 -5.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -3.8035 -4.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0719 -3.2276 -2.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5099 -3.1209 -4.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 -1.8415 -3.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4327 -4.8842 -2.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7631 -4.0318 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0403 -1.2372 -1.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2492 -1.6605 -0.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5140 -2.0721 -2.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9231 -1.0915 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0893 -1.2154 1.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1264 0.3805 1.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5950 -1.2718 1.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7425 0.8541 2.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4369 2.0003 1.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8635 2.7010 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3424 3.7412 2.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1878 2.2349 3.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7554 3.3450 4.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8935 4.7592 3.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0238 1.9093 2.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6267 3.1182 1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3091 4.1935 0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0299 0.3589 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5059 1.0345 -2.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8433 -1.2285 -1.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8259 0.1254 -0.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1479 0.3177 1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0744 -0.8422 0.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8278 -1.3134 1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2552 -1.6393 2.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5301 -3.0439 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5121 -5.0125 0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4984 -4.4435 2.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4772 -3.2233 3.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1686 -4.9808 3.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0605 -6.9252 4.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7405 -7.7178 2.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2938 -6.0952 2.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3231 -7.5203 5.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2199 -6.3476 5.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7130 -4.9316 3.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 -4.0845 4.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7241 -6.2866 2.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0626 -4.4949 2.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6727 -5.7338 4.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4137 -6.4099 5.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8670 -4.0690 6.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5757 -4.5793 6.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1810 -3.4768 4.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7322 -2.3929 5.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5301 -2.6762 4.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9608 4.0710 3.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5011 2.3155 3.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3452 2.3700 0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8041 4.1276 1.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0784 3.9145 0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0016 4.7578 1.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6666 1.7766 1.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5399 2.5739 3.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9269 2.4311 2.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4748 3.1693 0.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6852 4.6526 2.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0628 5.2510 1.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9841 3.6270 4.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3223 4.1475 4.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8765 5.8524 4.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6596 5.3217 5.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6349 7.6582 5.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 7.0005 5.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5927 7.2763 2.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2623 7.8047 3.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1979 9.8155 4.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6717 9.5241 2.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7488 10.1404 3.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0074 8.6488 4.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3881 8.7366 1.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2657 8.3709 3.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5853 7.2438 2.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 0 25 96 1 0 26 97 1 1 27 98 1 0 27 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 47128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 58143 1 0 58144 1 0 59145 1 0 59146 1 0 60147 1 0 60148 1 0 61149 1 0 61150 1 0 62151 1 0 62152 1 0 63153 1 0 63154 1 0 63155 1 0 M END